2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

C19H26ClFN4O — CID 120555554

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16;/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25);1H
InChIKeyXSOHNOALENFYDP-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120555554) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120555554
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16;/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25);1H
InChIKeyXSOHNOALENFYDP-UHFFFAOYSA-N
XLogP2.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120553626
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 98365516
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443137
N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97065533
N-[3-(aminomethyl)pentan-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119570615
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008464

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120555554) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is XSOHNOALENFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O.ClH/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16;/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25);1H.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120555554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).